General Information of the Compound
| Compound ID |
CP0334698
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| Compound Name |
6-[Methoxy-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-naphthalen-2-yl)-methyl]-naphthalene-2-carboxylic acid
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| Structure |
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| Formula |
C27H30O3
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| Molecular Weight |
402.534
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| Canonical SMILES |
COC(c1ccc2c(c1)C(C)(C)CCC2(C)C)c1ccc2cc(ccc2c1)C(O)=O
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| InChI |
InChI=1S/C27H30O3/c1-26(2)12-13-27(3,4)23-16-20(10-11-22(23)26)24(30-5)19-8-6-18-15-21(25(28)29)9-7-17(18)14-19/h6-11,14-16,24H,12-13H2,1-5H3,(H,28,29)
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| InChIKey |
HPPASAIRMDHNEE-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01475, Retinoic acid receptor alpha
Protein ID: PT01452, Retinoic acid receptor beta